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5-Nitro-3,4-dihydro-2H-isoquinolin-1-one

View entire compound with spectra: 1 MS (GC)

5-Nitro-3,4-dihydro-2H-isoquinolin-1-one
SpectraBase Compound ID LfZaP38lVW1
InChI InChI=1S/C9H8N2O3/c12-9-7-2-1-3-8(11(13)14)6(7)4-5-10-9/h1-3H,4-5H2,(H,10,12)
InChIKey MRDYSQWSGPVVBJ-UHFFFAOYSA-N
Mol Weight 192.17 g/mol
Molecular Formula C9H8N2O3
Exact Mass 192.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bjk6F7M7Bld
Name 5-Nitro-3,4-dihydro-2H-isoquinolin-1-one
Alternate Name(s) 5-Nitro-3,4-dihydroisocarbostyril
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O3
InChI InChI=1S/C9H8N2O3/c12-9-7-2-1-3-8(11(13)14)6(7)4-5-10-9/h1-3H,4-5H2,(H,10,12)
InChIKey MRDYSQWSGPVVBJ-UHFFFAOYSA-N
Molecular Weight 192.174 g/mol
SMILES N1C(c2cccc(c2CC1)N(=O)=O)=O
SPLASH splash10-004i-1900000000-35855fd043d3ae36088f
Source of Spectrum QB-21-865-11
Wiley ID 860538